SCHEMBL709825

SCHEMBL709825

O=[N+]([O-])c1ccc[c]c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GPR35 Q9HC97 2/20 0.41
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
P2RX1 P51575 1/20 0.37
POLB P06746 1/20 0.37
S100A4 P26447 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15639404 0.87 ALDH1A1 (0.46) TDP1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL2016086 0.83 KMT2A (0.44) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL28036230 0.82 GPR35 (0.49) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL23581895 0.78 ALDH1A1 (0.37) TDP1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7646278 0.78 TSHR (0.38) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL2075134 0.76 TDP1 (0.45) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL16959165 0.75 TDP1 (0.37) TDP1KMT2AMEN1GPR35HSD17B10
SCHEMBL6911307 0.75 AKR1C3 (0.40) KMT2AMEN1ALDH1A1CYP3A4LMNA
SCHEMBL11633200 0.75 ALDH1A1 (0.41) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7136437 0.74 TDP1 (0.46) TDP1KMT2AMEN1GPR35HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US claimed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US claimed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
EP-2705011-B1 NOVEL PRECURSORS OF GLUTAMATE DERIVATIVES PIRAMAL IMAGING SA (CH) 2016-08-17 EP disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-9000037-B2 Precursors of glutamate derivatives PIRAMAL IMAGING SA (CH) 2015-04-07 US disclosed
US-20140243532-A1 NOVEL PRECURSORS OF GLUTAMATE DERIVATIVES PIRAMAL IMAGING SA (CH) 2014-08-28 US disclosed
EP-2705011-A1 NOVEL PRECURSORS OF GLUTAMATE DERIVATIVES Piramal Imaging SA (CH) 2014-03-12 EP disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
CN-1768040-A Isoquinoline-5-sulfonic acid amides as inhibitors of AKT (protein kinase B) LILLY CO ELI (US) 2006-05-03 CN disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO disclosed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG TDP1 3362/4885KMT2A 1247/4885MEN1 860/4885
US-20140243532-A1 NOVEL PRECURSORS OF GLUTAMATE DERIVATIVES GLUL, GRIN1, SLC7A11 TDP1 3346/4885KMT2A 1697/4885MEN1 252/4885
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 TDP1 3701/4885KMT2A 3755/4885MEN1 4618/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX TDP1 2034/4885KMT2A 2596/4885MEN1 4770/4885
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 TDP1 46/4885KMT2A 2987/4885MEN1 3999/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.